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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050177
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.1604 5.485249   1  1  1    2   16.1596  5.485521   -0.0008 -0.000272
   17.1170 5.180522   0  0  2    2   17.1178  5.180284    0.0008  0.000238
   19.6210 4.524163   0  2  0    2   19.6117  4.526288   -0.0093 -0.002125
   21.4185 4.148101   0  2  1    2   21.4204  4.147741    0.0019  0.000359
   21.5927 4.115004   2  1  0    2   21.5932  4.114913    0.0005  0.000091
   21.9836 4.042658   1  1  2    2   21.9823  4.042894   -0.0013 -0.000236
   23.2520 3.824776   2  1  1    2   23.2548  3.824320    0.0028  0.000456
   25.8341 3.447823   2  0  2    2   25.8337  3.447874   -0.0004 -0.000051
   26.1395 3.408205   0  2  2    2   26.1373  3.408485   -0.0022 -0.000279
   27.8939 3.197585   1  2  2    2   27.8917  3.197829   -0.0022 -0.000244
   31.8687 2.807063   3  1  1    2   31.8730  2.806695    0.0043  0.000368
   32.3747 2.764315   1  3  1    2   32.3733  2.764434   -0.0014 -0.000119
   34.0489 2.632064   1  2  3    2   34.0516  2.631859    0.0027  0.000204
   34.6150 2.590284   0  0  4    2   34.6170  2.590142    0.0020  0.000142
   35.3069 2.541070   3  1  2    2   35.3094  2.540892    0.0025  0.000178
   35.5166 2.526540   2  3  0    2   35.5193  2.526352    0.0027  0.000188
   36.3181 2.472576   3  2  1    2   36.3161  2.472709   -0.0020 -0.000133
   37.3823 2.404566   1  1  4    2   37.3847  2.404418    0.0024  0.000148
   38.1076 2.360433   2  2  3    2   38.1110  2.360232    0.0034  0.000200
   42.8443 2.109705   4  0  2    2   42.8453  2.109660    0.0010  0.000045
   43.9913 2.057302   4  2  0    2   43.9878  2.057456   -0.0035 -0.000154
   44.7563 2.023886   1  4  2    2   44.7647  2.023524    0.0084  0.000362
   47.5339 1.911861   4  2  2    2   47.5260  1.912160   -0.0079 -0.000300
   48.0451 1.892699   0  4  3    2   48.0394  1.892909   -0.0057 -0.000210
   54.2854 1.688879   3  1  5    2   54.2801  1.689033   -0.0053 -0.000154
   62.5502 1.484066   5  1  4    2   62.5553  1.483958    0.0051  0.000108

 rmse = 0.00003970454
 
     A =     9.2395(4)         B =     9.0525(5)          C =    10.3605(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    866.57(6)